CID 643447

Cyclopropylacetonitrile

Structural Information

Molecular Formula
C5H7N
SMILES
C1CC1CC#N
InChI
InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2
InChIKey
FAUQRRGKJKMEIW-UHFFFAOYSA-N
Compound name
2-cyclopropylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1189
Patents

81.057846 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 110.5
[M+Na]+ 104.04706 126.0
[M-H]- 80.050570 117.3
[M+NH4]+ 99.091669 129.7
[M+K]+ 120.02100 121.8
[M+H-H2O]+ 64.055106 101.7
[M+HCOO]- 126.05605 133.5
[M+CH3COO]- 140.07170 181.4
[M+Na-2H]- 102.03251 120.5
[M]+ 81.057297 109.6
[M]- 81.058395 109.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe